SCHEMBL5987624

SCHEMBL5987624

CC12CCC(CC(=O)O1)C2(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LMNA P02545 5/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
TSHR P16473 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
AR P10275 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16347736 1.00 ALDH1A1 (0.47) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL6890184 0.69 ALDH1A1 (0.36) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL4505355 0.67 MEN1 (0.32) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL7580955 0.67 MEN1 (0.32) ALDH1A1LMNAKMT2AMAPTMEN1
Camphor SCHEMBL2037672 0.64 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMAPTMEN1
Camphor SCHEMBL16068 0.64 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMAPTMEN1
(-)-Camphor SCHEMBL1701376 0.64 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMAPTMEN1
Camphor SCHEMBL285280 0.64 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMAPTMEN1
Camphor SCHEMBL15542393 0.64 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMAPTMEN1
Camphor SCHEMBL1151878 0.64 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AMAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060111270-A1 Ketocampholenic acid derivatives and their use in fragrance applications AROMAGEN CORPORATION 2006-05-25 US claimed
EP-1534660-A1 KETOCAMPHOLENIC ACID DERIVATIVES AND THEIR USE IN FRAGRANCE AND FLAVOR APPLICATIONS Aromagen Corporation (US) 2005-06-01 EP claimed
WO-2004013079-A1 KETOCAMPHOLENIC ACID DERIVATIVES AND THEIR USE IN FRAGRANCE AND FLAVOUR APPLICATIONS AROMAGEN CORPORATION (US) 2004-02-12 WO claimed
EP-2636665-B1 METHOD FOR PRODUCING ESTER UNIV NAGOYA NAT UNIV CORP (JP) 2016-06-22 EP disclosed
WO-2015000076-A9 PHOTOCHEMICAL PROCESS FOR THE FLUORINATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-08-06 WO disclosed
WO-2015000076-A9 PHOTOCHEMICAL PROCESS FOR THE FLUORINATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-08-06 WO disclosed
WO-2015000076-A1 PHOTOCHEMICAL PROCESS FOR THE FLUORTNATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-01-08 WO disclosed
WO-2015000076-A1 PHOTOCHEMICAL PROCESS FOR THE FLUORTNATION OF AN ORGANIC COMPOUND HAVING AN UNACTIVATED SP3 C-H BOND ALECTOS THERAPEUTICS INC. (CA) 2015-01-08 WO disclosed
US-8853426-B2 Method for manufacturing ester NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-10-07 US disclosed
US-8853426-B2 Method for manufacturing ester NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-10-07 US disclosed
US-20130217898-A1 METHOD FOR MANUFACTURING ESTER NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-08-22 US disclosed
US-20130217898-A1 METHOD FOR MANUFACTURING ESTER NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-08-22 US disclosed
US-20060111270-A1 Ketocampholenic acid derivatives and their use in fragrance applications AROMAGEN CORPORATION 2006-05-25 US disclosed
EP-1534660-A1 KETOCAMPHOLENIC ACID DERIVATIVES AND THEIR USE IN FRAGRANCE AND FLAVOR APPLICATIONS Aromagen Corporation (US) 2005-06-01 EP disclosed
WO-2004013079-A1 KETOCAMPHOLENIC ACID DERIVATIVES AND THEIR USE IN FRAGRANCE AND FLAVOUR APPLICATIONS AROMAGEN CORPORATION (US) 2004-02-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130217898-A1 METHOD FOR MANUFACTURING ESTER CBR3, BCKDK, ACSL4 ALDH1A1 1584/4885LMNA 3011/4885KMT2A 2453/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.